cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Ti2OsCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99991644
_cell_length_b 2.99991644
_cell_length_c 7.36580532
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2OsCl
_chemical_formula_sum 'Ti2 Os1 Cl1'
_cell_volume 66.28855501
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 0.00000000 0.00000000 3.68290266 1
Ti Ti2 1 1.49995822 1.49995822 5.27860877 1
Ti Ti3 1 1.49995822 1.49995822 2.08719655 1
[/CIF]
| ClOsTi2 | P4/mmm | 123 | tetragonal | 4/mmm | 8,051.54804 | false |
[CIF]
data_TeIrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02338785
_cell_length_b 6.02338785
_cell_length_c 6.02338785
_cell_angle_alpha 150.80329566
_cell_angle_beta 150.80329566
_cell_angle_gamma 41.76351587
_symmetry_Int_Tables_number 1
_chemical_formula_structural TeIrRu
_chemical_formula_sum 'Te1 Ir1 Ru1'
_cell_volume 51.88256030
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 0.00000000 0.00000000 11.11009049 1
Ru Ru1 1 0.00000000 -0.00000000 3.81681373 1
Te Te2 1 0.00000000 0.00000000 7.58413469 1
[/CIF]
| IrRuTe | I4mm | 107 | tetragonal | 4mm | 13,470.794466 | false |
[CIF]
data_Ag2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61544332
_cell_length_b 4.61544332
_cell_length_c 2.72021437
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2Rh
_chemical_formula_sum 'Ag2 Rh1'
_cell_volume 50.18346061
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.30772166 1.33236372 1.79649056 1
Ag Ag1 1 0.00000000 2.66472744 0.92372381 1
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ag2Rh | P-3m1 | 164 | trigonal | -3m | 10,543.65954 | false |
[CIF]
data_MnHgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86282907
_cell_length_b 4.86282907
_cell_length_c 4.86282907
_cell_angle_alpha 129.86636444
_cell_angle_beta 129.86636444
_cell_angle_gamma 73.62049355
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnHgPt2
_chemical_formula_sum 'Mn1 Hg1 Pt2'
_cell_volume 66.10300547
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 0.00000000 3.89329877 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 -0.00000000 2.06025862 1.94664939 1
Pt Pt3 1 2.06025863 -0.00000000 1.94664938 1
[/CIF]
| HgMnPt2 | I4/mmm | 139 | tetragonal | 4/mmm | 16,220.931962 | false |
[CIF]
data_SnAsW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57367987
_cell_length_b 4.57367987
_cell_length_c 3.26439928
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnAsW2
_chemical_formula_sum 'Sn1 As1 W2'
_cell_volume 68.28649157
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Sn Sn1 1 2.28683994 2.28683994 0.00000000 1
W W2 1 2.28683994 0.00000000 1.63219964 1
W W3 1 0.00000000 2.28683994 1.63219964 1
[/CIF]
| AsSnW2 | P4/mmm | 123 | tetragonal | 4/mmm | 13,649.549404 | false |
[CIF]
data_KRb2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48402519
_cell_length_b 6.48402519
_cell_length_c 6.48402519
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KRb2Cu
_chemical_formula_sum 'K1 Rb2 Cu1'
_cell_volume 192.76096064
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 4.58489818 4.58489818 4.58489818 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Rb Rb2 1 2.29244909 2.29244909 2.29244909 1
Rb Rb3 1 6.87734727 6.87734727 6.87734727 1
[/CIF]
| CuKRb2 | Fm-3m | 225 | cubic | m-3m | 2,356.753724 | false |
[CIF]
data_LiZrPtPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78589660
_cell_length_b 4.78589660
_cell_length_c 4.78589660
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiZrPtPb
_chemical_formula_sum 'Li1 Zr1 Pt1 Pb1'
_cell_volume 77.51306971
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 5.07620991 5.07620991 5.07620991 1
Pt Pt2 1 1.69206997 1.69206997 1.69206997 1
Zr Zr3 1 3.38413994 3.38413994 3.38413994 1
[/CIF]
| LiPbPtZr | F-43m | 216 | cubic | -43m | 10,720.967683 | false |
[CIF]
data_Re2MoCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91425131
_cell_length_b 2.91425131
_cell_length_c 7.22021579
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re2MoCl
_chemical_formula_sum 'Re2 Mo1 Cl1'
_cell_volume 61.32028691
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 0.00000000 3.61010790 1
Re Re2 1 1.45712566 1.45712566 5.39435159 1
Re Re3 1 1.45712566 1.45712566 1.82586420 1
[/CIF]
| ClMoRe2 | P4/mmm | 123 | tetragonal | 4/mmm | 13,643.517642 | false |
[CIF]
data_Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90339939
_cell_length_b 2.90339939
_cell_length_c 2.90339939
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga
_chemical_formula_sum Ga1
_cell_volume 18.84076156
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ga | Im-3m | 229 | cubic | m-3m | 6,145.068231 | false |
[CIF]
data_BOsBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18544219
_cell_length_b 3.18544219
_cell_length_c 6.82916499
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BOsBr2
_chemical_formula_sum 'B1 Os1 Br2'
_cell_volume 69.29582361
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Br Br1 1 1.59272109 1.59272109 1.79297118 1
Br Br2 1 1.59272109 1.59272109 5.03619381 1
Os Os3 1 0.00000000 0.00000000 3.41458250 1
[/CIF]
| BBr2Os | P4/mmm | 123 | tetragonal | 4/mmm | 8,647.041487 | false |
[CIF]
data_BaTaAlPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32650733
_cell_length_b 5.32650733
_cell_length_c 5.32650733
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTaAlPb
_chemical_formula_sum 'Ba1 Ta1 Al1 Pb1'
_cell_volume 106.85936476
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 -0.00000000 -0.00000000 0.00000000 1
Ba Ba1 1 5.64961417 5.64961418 5.64961418 1
Pb Pb2 1 3.76640945 3.76640945 3.76640945 1
Ta Ta3 1 1.88320472 1.88320472 1.88320472 1
[/CIF]
| AlBaPbTa | F-43m | 216 | cubic | -43m | 8,584.886011 | false |
[CIF]
data_Y2CoMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66326874
_cell_length_b 7.66326874
_cell_length_c 7.66326874
_cell_angle_alpha 29.88634555
_cell_angle_beta 29.88634555
_cell_angle_gamma 29.88634555
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2CoMo
_chemical_formula_sum 'Y2 Co1 Mo1'
_cell_volume 98.95661768
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 -0.00000000 -0.00000000 11.78631973 1
Mo Mo1 1 -0.00000000 0.00000000 4.65488311 1
Y Y2 1 -0.00000000 -0.00000000 21.30442042 1
Y Y3 1 -0.00000000 -0.00000000 17.12203343 1
[/CIF]
| CoMoY2 | R3m | 160 | trigonal | 3m | 5,582.946227 | false |
[CIF]
data_NbAl2Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45965741
_cell_length_b 4.45965741
_cell_length_c 4.45965741
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbAl2Cr
_chemical_formula_sum 'Nb1 Al2 Cr1'
_cell_volume 62.71760927
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 4.73018100 4.73018100 4.73018100 1
Al Al1 1 1.57672700 1.57672700 1.57672700 1
Cr Cr2 1 -0.00000000 -0.00000000 0.00000000 1
Nb Nb3 1 3.15345400 3.15345400 3.15345400 1
[/CIF]
| Al2CrNb | Fm-3m | 225 | cubic | m-3m | 5,265.252145 | false |
[CIF]
data_FeIr2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61426483
_cell_length_b 4.61426483
_cell_length_c 4.62087397
_cell_angle_alpha 99.93431249
_cell_angle_beta 99.93431249
_cell_angle_gamma 33.75350355
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeIr2Ru
_chemical_formula_sum 'Fe1 Ir2 Ru1'
_cell_volume 53.76911263
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.58499073 -0.00000000 3.40719593 1
Ir Ir1 1 7.97882226 -0.00000000 4.50216157 1
Ir Ir2 1 6.41585256 -0.00000000 1.15188294 1
Ru Ru3 1 4.01534116 -0.00000000 2.30165821 1
[/CIF]
| FeIr2Ru | Cm | 8 | monoclinic | m | 16,718.355933 | false |
[CIF]
data_YSc2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17686739
_cell_length_b 6.17686739
_cell_length_c 6.17686739
_cell_angle_alpha 143.46925932
_cell_angle_beta 132.43476322
_cell_angle_gamma 61.42635734
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSc2Sb
_chemical_formula_sum 'Y1 Sc2 Sb1'
_cell_volume 102.43479575
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb Sb0 1 0.00000000 0.00000000 5.31046796 1
Sc Sc1 1 1.93594491 -0.00000000 2.95731358 1
Sc Sc2 1 0.00000000 2.49093117 2.35315438 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| SbSc2Y | Immm | 71 | orthorhombic | mmm | 4,872.577987 | false |
[CIF]
data_Re2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.69868254
_cell_length_b 4.46548100
_cell_length_c 5.00313154
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.60147470
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re2TcOs
_chemical_formula_sum 'Re2 Tc1 Os1'
_cell_volume 59.89256618
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 1.06175447 0.00000000 2.48497991 1
Re Re1 1 0.06901530 2.23274050 3.72597132 1
Re Re2 1 2.05449364 2.23274050 1.24398850 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| OsRe2Tc | P2/m | 10 | monoclinic | 2/m | 18,341.674462 | false |
[CIF]
data_Ce2MnTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43581833
_cell_length_b 5.43581833
_cell_length_c 5.43581833
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2MnTe
_chemical_formula_sum 'Ce2 Mn1 Te1'
_cell_volume 113.57423042
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 1.92185200 1.92185200 1.92185200 1
Ce Ce1 1 5.76555600 5.76555600 5.76555600 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 3.84370400 3.84370400 3.84370400 1
[/CIF]
| Ce2MnTe | Fm-3m | 225 | cubic | m-3m | 6,766.039583 | false |
[CIF]
data_V2SiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16240141
_cell_length_b 4.16240141
_cell_length_c 4.16240141
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2SiP
_chemical_formula_sum 'V2 Si1 P1'
_cell_volume 50.99374182
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 4.41489339 4.41489339 4.41489339 1
Si Si1 1 -0.00000000 -0.00000000 0.00000000 1
V V2 1 1.47163113 1.47163113 1.47163113 1
V V3 1 2.94326226 2.94326226 2.94326226 1
[/CIF]
| PSiV2 | F-43m | 216 | cubic | -43m | 5,240.857093 | false |
[CIF]
data_BaHg2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21829813
_cell_length_b 6.13844138
_cell_length_c 6.13844138
_cell_angle_alpha 45.42760692
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaHg2Ir
_chemical_formula_sum 'Ba1 Hg2 Ir1'
_cell_volume 113.22846831
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 0.00000000 6.85342900 1
Hg Hg1 1 2.10914906 0.00000000 10.39860526 1
Hg Hg2 1 0.00000000 0.00000000 3.55872293 1
Ir Ir3 1 2.10914906 0.00000000 1.82027422 1
[/CIF]
| BaHg2Ir | Amm2 | 38 | orthorhombic | mm2 | 10,716.418698 | false |
[CIF]
data_NaSc2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41576309
_cell_length_b 3.41576309
_cell_length_c 8.92913186
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaSc2Br
_chemical_formula_sum 'Na1 Sc2 Br1'
_cell_volume 104.18008779
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 1.70788155 1.70788155 4.20312997 1
Na Na1 1 0.00000000 0.00000000 6.49810892 1
Sc Sc2 1 1.70788155 1.70788155 0.29294794 1
Sc Sc3 1 0.00000000 0.00000000 2.39951096 1
[/CIF]
| BrNaSc2 | P4mm | 99 | tetragonal | 4mm | 3,073.153171 | false |
[CIF]
data_NdBiAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12330966
_cell_length_b 5.12330966
_cell_length_c 5.12330966
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdBiAu2
_chemical_formula_sum 'Nd1 Bi1 Au2'
_cell_volume 95.09043175
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 5.43409050 5.43409050 5.43409050 1
Au Au1 1 1.81136350 1.81136350 1.81136350 1
Bi Bi2 1 3.62272700 3.62272700 3.62272700 1
Nd Nd3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au2BiNd | Fm-3m | 225 | cubic | m-3m | 13,047.379603 | false |
[CIF]
data_AlInRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48589217
_cell_length_b 4.48589217
_cell_length_c 4.48589217
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlInRe2
_chemical_formula_sum 'Al1 In1 Re2'
_cell_volume 63.83097686
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
In In1 1 3.17200477 3.17200477 3.17200477 1
Re Re2 1 1.58600239 1.58600239 1.58600239 1
Re Re3 1 4.75800716 4.75800716 4.75800716 1
[/CIF]
| AlInRe2 | Fm-3m | 225 | cubic | m-3m | 13,377.073506 | false |
[CIF]
data_CrB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.10042238
_cell_length_b 8.10042238
_cell_length_c 8.10042238
_cell_angle_alpha 159.25577479
_cell_angle_beta 159.25577479
_cell_angle_gamma 29.50161365
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrB
_chemical_formula_sum 'Cr4 B4'
_cell_volume 66.64512492
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 -0.00000000 1.45840323 6.38115264 1
B B1 1 -0.00000000 0.00000000 2.46442688 1
B B2 1 0.00000000 1.45840323 1.45229888 1
B B3 1 -0.00000000 0.00000000 13.20247616 1
Cr Cr4 1 1.45840323 0.00000000 0.81925518 1
Cr Cr5 1 0.00000000 -0.00000000 4.73598094 1
Cr Cr6 1 1.45840323 -0.00000000 7.01419634 1
Cr Cr7 1 0.00000000 0.00000000 10.93092210 1
[/CIF]
| B4Cr4 | I4_1/amd | 141 | tetragonal | 4/mmm | 6,259.641247 | false |
[CIF]
data_GeH3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95173273
_cell_length_b 3.95173273
_cell_length_c 3.95173273
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeH3I
_chemical_formula_sum 'Ge1 H3 I1'
_cell_volume 61.71101534
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
I I0 1 1.97586637 1.97586637 1.97586637 1
H H1 1 0.00000000 1.97586637 0.00000000 1
H H2 1 0.00000000 0.00000000 1.97586637 1
H H3 1 1.97586637 0.00000000 0.00000000 1
Ge Ge4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GeH3I | Pm-3m | 221 | cubic | m-3m | 5,450.770131 | false |
[CIF]
data_NaAgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14967460
_cell_length_b 5.14967460
_cell_length_c 4.90492948
_cell_angle_alpha 98.78021153
_cell_angle_beta 98.78021153
_cell_angle_gamma 31.58881569
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAgPt2
_chemical_formula_sum 'Na1 Ag1 Pt2'
_cell_volume 67.27283732
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 4.56620257 0.00000000 2.42141038 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 7.26761521 0.00000000 1.22139015 1
Pt Pt3 1 1.86478994 0.00000000 3.62143061 1
[/CIF]
| AgNaPt2 | C2/m | 12 | monoclinic | 2/m | 12,860.821858 | false |
[CIF]
data_P2IrPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17201159
_cell_length_b 3.17201159
_cell_length_c 7.54181355
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P2IrPb
_chemical_formula_sum 'P2 Ir1 Pb1'
_cell_volume 75.88314507
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 0.00000000 0.00000000 6.24524246 1
P P1 1 1.58600579 1.58600579 7.43431322 1
P P2 1 0.00000000 0.00000000 1.13574048 1
Pb Pb3 1 1.58600579 1.58600579 4.03923764 1
[/CIF]
| IrP2Pb | P4mm | 99 | tetragonal | 4mm | 10,095.968153 | false |
[CIF]
data_TiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06460079
_cell_length_b 3.06460079
_cell_length_c 3.06460079
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiC
_chemical_formula_sum 'Ti1 C1'
_cell_volume 20.35198293
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 0.00000000 0.00000000 1
Ti Ti1 1 2.16700000 2.16700000 2.16700000 1
[/CIF]
| C4Ti4 | Fm-3m | 225 | cubic | m-3m | 4,885.482679 | false |
[CIF]
data_CuPdSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59231126
_cell_length_b 6.59231126
_cell_length_c 6.59231126
_cell_angle_alpha 31.67697030
_cell_angle_beta 31.67697030
_cell_angle_gamma 31.67697030
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuPdSe2
_chemical_formula_sum 'Cu1 Pd1 Se2'
_cell_volume 70.15857693
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 -0.00000000 -0.00000000 -0.00000000 1
Pd Pd1 1 -0.00000000 0.00000000 9.38457448 1
Se Se2 1 0.00000000 0.00000000 4.72473835 1
Se Se3 1 -0.00000000 -0.00000000 14.04441061 1
[/CIF]
| CuPdSe2 | R-3m | 166 | trigonal | -3m | 7,760.526738 | false |
[CIF]
data_Ti2InRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35239905
_cell_length_b 4.35239905
_cell_length_c 3.54063356
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2InRu
_chemical_formula_sum 'Ti2 In1 Ru1'
_cell_volume 67.07155808
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 2.17619952 2.17619952 0.00000000 1
Ru Ru1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 0.00000000 2.17619952 1.77031678 1
Ti Ti3 1 2.17619952 0.00000000 1.77031678 1
[/CIF]
| InRuTi2 | P4/mmm | 123 | tetragonal | 4/mmm | 7,715.051205 | false |
[CIF]
data_MgAsRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53844277
_cell_length_b 4.53844277
_cell_length_c 4.53844277
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgAsRh3
_chemical_formula_sum 'Mg1 As1 Rh3'
_cell_volume 93.48040602
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 2.26922138 2.26922138 2.26922138 1
Rh Rh1 1 2.26922138 0.00000000 2.26922138 1
Rh Rh2 1 2.26922138 2.26922138 0.00000000 1
Rh Rh3 1 0.00000000 2.26922138 2.26922138 1
Mg Mg4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AsMgRh3 | Pm-3m | 221 | cubic | m-3m | 7,246.496708 | false |
[CIF]
data_LiLaZrNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76598198
_cell_length_b 4.76598198
_cell_length_c 4.76598198
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiLaZrNi
_chemical_formula_sum 'Li1 La1 Zr1 Ni1'
_cell_volume 76.54947054
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 1.68502909 1.68502909 1.68502909 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 5.05508727 5.05508727 5.05508727 1
Zr Zr3 1 3.37005818 3.37005818 3.37005818 1
[/CIF]
| LaLiNiZr | F-43m | 216 | cubic | -43m | 6,415.817865 | false |
[CIF]
data_CaHf2Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79531567
_cell_length_b 4.79531567
_cell_length_c 3.62890186
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaHf2Tc
_chemical_formula_sum 'Ca1 Hf2 Tc1'
_cell_volume 83.44678833
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 0.00000000 2.39765783 1.81445093 1
Hf Hf2 1 2.39765783 0.00000000 1.81445093 1
Tc Tc3 1 2.39765783 2.39765783 0.00000000 1
[/CIF]
| CaHf2Tc | P4/mmm | 123 | tetragonal | 4/mmm | 9,869.378393 | false |
[CIF]
data_AlFeCoAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27784336
_cell_length_b 4.27784336
_cell_length_c 4.27784336
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlFeCoAu
_chemical_formula_sum 'Al1 Fe1 Co1 Au1'
_cell_volume 55.35535460
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Au Au1 1 4.53733808 4.53733808 4.53733808 1
Co Co2 1 1.51244603 1.51244603 1.51244603 1
Fe Fe3 1 3.02489205 3.02489205 3.02489205 1
[/CIF]
| AlAuCoFe | F-43m | 216 | cubic | -43m | 10,161.045167 | false |
[CIF]
data_HfTiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08020797
_cell_length_b 3.44046961
_cell_length_c 6.11537208
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTiRh2
_chemical_formula_sum 'Hf1 Ti1 Rh2'
_cell_volume 64.80681117
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 0.00000000 3.05768604 1
Rh Rh1 1 1.54010399 1.72023481 4.65614187 1
Rh Rh2 1 1.54010399 1.72023481 1.45923021 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfRh2Ti | Pmmm | 47 | orthorhombic | mmm | 11,073.401614 | false |
[CIF]
data_GaC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23318305
_cell_length_b 4.23318305
_cell_length_c 4.23318305
_cell_angle_alpha 74.65001022
_cell_angle_beta 74.65001022
_cell_angle_gamma 74.65001022
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaC
_chemical_formula_sum 'Ga2 C2'
_cell_volume 68.97977982
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.00000000 -0.00000000 8.43701026 1
C C1 1 -0.00000000 0.00000000 0.63058945 1
Ga Ga2 1 -0.00000000 -0.00000000 6.32321630 1
Ga Ga3 1 -0.00000000 0.00000000 2.74438341 1
[/CIF]
| C2Ga2 | R-3m | 166 | trigonal | -3m | 3,935.124243 | false |
[CIF]
data_Na2CoPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47370390
_cell_length_b 5.47370390
_cell_length_c 5.47370390
_cell_angle_alpha 139.08013460
_cell_angle_beta 139.08013460
_cell_angle_gamma 59.25268390
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2CoPd
_chemical_formula_sum 'Na2 Co1 Pd1'
_cell_volume 69.67576151
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 -0.00000000 0.00000000 0.00000000 1
Na Na1 1 1.91334565 0.00000000 2.37905713 1
Na Na2 1 0.00000000 1.91334565 2.37905713 1
Pd Pd3 1 0.00000000 0.00000000 4.75811425 1
[/CIF]
| CoNa2Pd | I4/mmm | 139 | tetragonal | 4/mmm | 5,036.561532 | false |
[CIF]
data_Ca2GaSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72707812
_cell_length_b 3.72707812
_cell_length_c 7.75442742
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2GaSn
_chemical_formula_sum 'Ca2 Ga1 Sn1'
_cell_volume 107.71761471
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 1.86353906 1.86353906 5.94046190 1
Ca Ca1 1 1.86353906 1.86353906 1.81396552 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 0.00000000 0.00000000 3.87721371 1
[/CIF]
| Ca2GaSn | P4/mmm | 123 | tetragonal | 4/mmm | 4,140.624953 | false |
[CIF]
data_InCuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21577829
_cell_length_b 7.21577829
_cell_length_c 7.21577829
_cell_angle_alpha 131.83778508
_cell_angle_beta 131.83778508
_cell_angle_gamma 70.48534869
_symmetry_Int_Tables_number 1
_chemical_formula_structural InCuSe2
_chemical_formula_sum 'In2 Cu2 Se4'
_cell_volume 204.34464015
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 -0.00000000 5.89323682 1
In In1 1 2.94424999 -0.00000000 2.94661841 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Cu Cu3 1 -0.00000000 2.94425000 2.94661841 1
Se Se4 1 1.28136457 4.41637499 1.47330921 1
Se Se5 1 1.66288543 -1.47212500 7.36654603 1
Se Se6 1 1.47212500 1.28136457 -1.47330921 1
Se Se7 1 1.47212500 1.66288543 4.41992762 1
[/CIF]
| Cu2In2Se4 | I-42d | 122 | tetragonal | -42m | 5,465.401187 | false |
[CIF]
data_Zn2SiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.68107832
_cell_length_b 2.68107832
_cell_length_c 8.52780572
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2SiW
_chemical_formula_sum 'Zn2 Si1 W1'
_cell_volume 61.29941069
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si Si0 1 0.00000000 0.00000000 0.00000000 1
W W1 1 0.00000000 0.00000000 4.26390286 1
Zn Zn2 1 1.34053916 1.34053916 6.35333926 1
Zn Zn3 1 1.34053916 1.34053916 2.17446646 1
[/CIF]
| SiWZn2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,283.003766 | false |
[CIF]
data_NiIrPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68471645
_cell_length_b 4.68471645
_cell_length_c 4.68471645
_cell_angle_alpha 131.18221758
_cell_angle_beta 131.18221758
_cell_angle_gamma 71.52373302
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiIrPt2
_chemical_formula_sum 'Ni1 Ir1 Pt2'
_cell_volume 56.98887061
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 0.00000000 1.93593914 1.90071352 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 1.93593914 -0.00000000 1.90071352 1
Pt Pt3 1 0.00000000 -0.00000000 3.80142703 1
[/CIF]
| IrNiPt2 | I-4m2 | 119 | tetragonal | -42m | 18,679.712661 | false |
[CIF]
data_K2TaPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24290501
_cell_length_b 3.24290501
_cell_length_c 12.24699219
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2TaPb
_chemical_formula_sum 'K2 Ta1 Pb1'
_cell_volume 128.79467164
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 1.62145251 1.62145251 11.72616007 1
K K1 1 0.00000000 0.00000000 3.65078183 1
Pb Pb2 1 1.62145251 1.62145251 6.53353776 1
Ta Ta3 1 0.00000000 0.00000000 8.70700093 1
[/CIF]
| K2PbTa | P4mm | 99 | tetragonal | 4mm | 6,012.540874 | false |
[CIF]
data_NbC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20138065
_cell_length_b 3.20138065
_cell_length_c 3.20138065
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbC
_chemical_formula_sum 'Nb1 C1'
_cell_volume 23.20047881
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 2.26371797 2.26371797 2.26371797 1
[/CIF]
| C4Nb4 | Fm-3m | 225 | cubic | m-3m | 7,509.280799 | false |
[CIF]
data_K4Na4MoW7O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02856258
_cell_length_b 8.02856258
_cell_length_c 8.00980524
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K4Na4MoW7O24
_chemical_formula_sum 'K4 Na4 Mo1 W7 O24'
_cell_volume 516.29456117
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 6.03531440 6.03531440 2.01433273 1
K K1 1 6.03531440 1.99324818 2.01433273 1
K K2 1 1.99324818 6.03531440 2.01433273 1
K K3 1 1.99324818 1.99324818 2.01433273 1
Na Na4 1 6.03398896 6.03398896 5.99695608 1
Na Na5 1 6.03398896 1.99457362 5.99695608 1
Na Na6 1 1.99457362 6.03398896 5.99695608 1
Na Na7 1 1.99457362 1.99457362 5.99695608 1
Mo Mo8 1 0.00000000 0.00000000 4.01599260 1
W W9 1 4.01428129 4.01428129 7.99562100 1
W W10 1 4.01428129 4.01428129 4.01327847 1
W W11 1 4.01428129 0.00000000 7.99320340 1
W W12 1 4.01428129 0.00000000 4.01889335 1
W W13 1 0.00000000 4.01428129 7.99320340 1
W W14 1 0.00000000 4.01428129 4.01889335 1
W W15 1 0.00000000 0.00000000 7.99723377 1
O O16 1 6.06287613 4.01428129 7.98292946 1
O O17 1 6.07291802 4.01428129 4.03172578 1
O O18 1 5.99503293 0.00000000 7.98188722 1
O O19 1 5.93675247 0.00000000 4.03201060 1
O O20 1 1.96568645 4.01428129 7.98292946 1
O O21 1 1.95564456 4.01428129 4.03172578 1
O O22 1 2.03352965 0.00000000 7.98188722 1
O O23 1 2.09181011 0.00000000 4.03201060 1
O O24 1 4.01428129 6.06287613 7.98292946 1
O O25 1 4.01428129 6.07291802 4.03172578 1
O O26 1 4.01428129 1.96568645 7.98292946 1
O O27 1 4.01428129 1.95564456 4.03172578 1
O O28 1 0.00000000 5.99503293 7.98188722 1
O O29 1 0.00000000 5.93675247 4.03201060 1
O O30 1 0.00000000 2.03352965 7.98188722 1
O O31 1 0.00000000 2.09181011 4.03201060 1
O O32 1 4.01428129 4.01428129 2.09503481 1
O O33 1 4.01428129 4.01428129 5.92350296 1
O O34 1 4.01428129 0.00000000 2.03848054 1
O O35 1 4.01428129 0.00000000 5.97946491 1
O O36 1 0.00000000 4.01428129 2.03848054 1
O O37 1 0.00000000 4.01428129 5.97946491 1
O O38 1 0.00000000 0.00000000 1.92636881 1
O O39 1 0.00000000 0.00000000 6.06845184 1
[/CIF]
| K4MoNa4O24W7 | P4mm | 99 | tetragonal | 4mm | 6,481.341937 | false |
[CIF]
data_AlIrPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88427773
_cell_length_b 2.88427773
_cell_length_c 7.07422150
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlIrPd2
_chemical_formula_sum 'Al1 Ir1 Pd2'
_cell_volume 58.85085913
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 3.56383030 1
Ir Ir1 1 1.44213887 1.44213887 5.10571057 1
Pd Pd2 1 0.00000000 0.00000000 7.03271131 1
Pd Pd3 1 1.44213887 1.44213887 1.98330157 1
[/CIF]
| AlIrPd2 | P4mm | 99 | tetragonal | 4mm | 12,190.423083 | false |
[CIF]
data_Cd3AsC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61166931
_cell_length_b 4.61166931
_cell_length_c 4.61166931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd3AsC
_chemical_formula_sum 'Cd3 As1 C1'
_cell_volume 98.07864857
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 2.30583465 2.30583465 2.30583465 1
C C1 1 0.00000000 0.00000000 0.00000000 1
Cd Cd2 1 0.00000000 2.30583465 0.00000000 1
Cd Cd3 1 0.00000000 0.00000000 2.30583465 1
Cd Cd4 1 2.30583465 0.00000000 0.00000000 1
[/CIF]
| CAsCd3 | Pm-3m | 221 | cubic | m-3m | 7,181.410649 | false |
[CIF]
data_GaHgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06465583
_cell_length_b 7.06465583
_cell_length_c 7.06465583
_cell_angle_alpha 152.15149734
_cell_angle_beta 152.15149734
_cell_angle_gamma 39.79210719
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaHgPb
_chemical_formula_sum 'Ga1 Hg1 Pb1'
_cell_volume 76.79561736
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 -0.00000000 13.18757060 1
Hg Hg1 1 0.00000000 -0.00000000 4.61574133 1
Pb Pb2 1 0.00000000 -0.00000000 8.76859838 1
[/CIF]
| GaHgPb | I4mm | 107 | tetragonal | 4mm | 10,325.185454 | false |
[CIF]
data_Mn2GaB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41484781
_cell_length_b 4.41484781
_cell_length_c 4.41484781
_cell_angle_alpha 142.65564449
_cell_angle_beta 122.91763387
_cell_angle_gamma 70.21832680
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2GaB
_chemical_formula_sum 'Mn2 Ga1 B1'
_cell_volume 43.07111129
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 0.00000000 0.00000000 3.61160045 1
Mn Mn2 1 1.41342676 0.00000000 1.43608307 1
Mn Mn3 1 -0.00000000 2.10937152 2.17551738 1
[/CIF]
| BGaMn2 | Immm | 71 | orthorhombic | mmm | 7,340.962043 | false |
[CIF]
data_CoSb2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59734340
_cell_length_b 4.59734340
_cell_length_c 3.25926062
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoSb2Rh
_chemical_formula_sum 'Co1 Sb2 Rh1'
_cell_volume 68.88631905
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 2.29867170 2.29867170 0.00000000 1
Sb Sb2 1 2.29867170 0.00000000 1.62963031 1
Sb Sb3 1 0.00000000 2.29867170 1.62963031 1
[/CIF]
| CoRhSb2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,771.373451 | false |
[CIF]
data_ZrRh2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13821555
_cell_length_b 4.13821555
_cell_length_c 3.85658644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrRh2Au
_chemical_formula_sum 'Zr1 Rh2 Au1'
_cell_volume 66.04337921
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 2.06910777 2.06910777 0.00000000 1
Rh Rh1 1 2.06910777 0.00000000 1.92829322 1
Rh Rh2 1 0.00000000 2.06910777 1.92829322 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuRh2Zr | P4/mmm | 123 | tetragonal | 4/mmm | 12,420.759114 | false |
[CIF]
data_KHgSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98264400
_cell_length_b 5.98264400
_cell_length_c 5.98264400
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHgSe4
_chemical_formula_sum 'K1 Hg1 Se4'
_cell_volume 151.41345999
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 6.34555221 6.34555221 6.34555221 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 5.27010715 5.27010715 3.19062913 1
Se Se3 1 5.27010715 3.19062913 5.27010715 1
Se Se4 1 3.19062913 5.27010715 5.27010715 1
Se Se5 1 3.19062913 3.19062913 3.19062913 1
[/CIF]
| HgKSe4 | F-43m | 216 | cubic | -43m | 6,092.433558 | false |
[CIF]
data_Ti2AgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57737119
_cell_length_b 3.57737119
_cell_length_c 6.00946785
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2AgTe
_chemical_formula_sum 'Ti2 Ag1 Te1'
_cell_volume 76.90667340
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 2.86256752 1
Te Te1 1 1.78868560 1.78868560 4.64321804 1
Ti Ti2 1 0.00000000 0.00000000 0.04116774 1
Ti Ti3 1 1.78868560 1.78868560 1.46724847 1
[/CIF]
| AgTeTi2 | P4mm | 99 | tetragonal | 4mm | 7,151.189458 | false |
[CIF]
data_ReSb2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42726179
_cell_length_b 3.42726179
_cell_length_c 6.39598440
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReSb2Pt
_chemical_formula_sum 'Re1 Sb2 Pt1'
_cell_volume 75.12802188
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt Pt0 1 0.00000000 0.00000000 3.19799220 1
Re Re1 1 0.00000000 0.00000000 0.00000000 1
Sb Sb2 1 1.71363090 1.71363090 1.56945484 1
Sb Sb3 1 1.71363090 1.71363090 4.82652956 1
[/CIF]
| PtReSb2 | P4/mmm | 123 | tetragonal | 4/mmm | 13,810.067785 | false |
[CIF]
data_LaBrCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84777772
_cell_length_b 6.84777772
_cell_length_c 5.46644263
_cell_angle_alpha 111.62739803
_cell_angle_beta 111.62739803
_cell_angle_gamma 32.99212903
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBrCl2
_chemical_formula_sum 'La1 Br1 Cl2'
_cell_volume 128.85547042
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 0.00000000 1
Cl Cl1 1 0.82450868 0.00000000 3.30089863 1
Cl Cl2 1 10.20607629 -0.00000000 1.74555946 1
La La3 1 5.51529248 0.00000000 2.52322904 1
[/CIF]
| BrCl2La | C2/m | 12 | monoclinic | 2/m | 3,733.51519 | false |
[CIF]
data_KHfMnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75523327
_cell_length_b 4.75523327
_cell_length_c 4.75523327
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KHfMnIr
_chemical_formula_sum 'K1 Hf1 Mn1 Ir1'
_cell_volume 76.03271182
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 5.04368654 5.04368654 5.04368653 1
Ir Ir1 1 3.36245769 3.36245769 3.36245769 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 1.68122884 1.68122884 1.68122884 1
[/CIF]
| HfIrKMn | F-43m | 216 | cubic | -43m | 10,149.90077 | false |
[CIF]
data_CrAuCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38376882
_cell_length_b 3.38376882
_cell_length_c 8.35924501
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.64995019
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrAuCl2
_chemical_formula_sum 'Cr1 Au1 Cl2'
_cell_volume 88.33060967
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.87623798 0.00000000 2.27849011 1
Cl Cl1 1 0.00000000 0.00000000 0.56637454 1
Cl Cl2 1 1.87623798 0.00000000 5.59339486 1
Cr Cr3 1 0.00000000 0.00000000 4.10060800 1
[/CIF]
| AuCl2Cr | Cmm2 | 35 | orthorhombic | mm2 | 6,013.25433 | false |
[CIF]
data_TaCrSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09577073
_cell_length_b 4.09577073
_cell_length_c 4.09577073
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCrSi
_chemical_formula_sum 'Ta1 Cr1 Si1'
_cell_volume 48.58384890
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 1.44807363 1.44807363 1.44807363 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 4.34422089 4.34422089 4.34422089 1
[/CIF]
| CrSiTa | F-43m | 216 | cubic | -43m | 8,921.681976 | false |
[CIF]
data_AgOsPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48095926
_cell_length_b 4.48095926
_cell_length_c 4.48095926
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgOsPd2
_chemical_formula_sum 'Ag1 Os1 Pd2'
_cell_volume 63.62063344
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 3.16851668 3.16851668 3.16851668 1
Pd Pd2 1 4.75277502 4.75277502 4.75277502 1
Pd Pd3 1 1.58425834 1.58425834 1.58425834 1
[/CIF]
| AgOsPd2 | Fm-3m | 225 | cubic | m-3m | 13,335.812549 | false |
[CIF]
data_K2ScTi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45098245
_cell_length_b 5.72418756
_cell_length_c 6.72076710
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2ScTi
_chemical_formula_sum 'K2 Sc1 Ti1'
_cell_volume 132.76250919
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 1.72549122 2.86209378 0.00000000 1
Sc Sc2 1 1.72549122 0.00000000 3.36038355 1
Ti Ti3 1 0.00000000 2.86209378 3.36038355 1
[/CIF]
| K2ScTi | Pmmm | 47 | orthorhombic | mmm | 2,139.041982 | false |
[CIF]
data_HgSbW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67769233
_cell_length_b 4.67769233
_cell_length_c 4.67769233
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgSbW2
_chemical_formula_sum 'Hg1 Sb1 W2'
_cell_volume 72.37356453
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 3.30762797 3.30762797 3.30762797 1
Sb Sb1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.65381399 1.65381399 1.65381399 1
W W3 1 4.96144196 4.96144196 4.96144196 1
[/CIF]
| HgSbW2 | Fm-3m | 225 | cubic | m-3m | 15,832.04834 | false |
[CIF]
data_Na2HfNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93678497
_cell_length_b 3.93678497
_cell_length_c 5.96297051
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2HfNb
_chemical_formula_sum 'Na2 Hf1 Nb1'
_cell_volume 92.41576215
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 1.96839249 1.96839249 0.00000000 1
Na Na1 1 1.96839249 0.00000000 2.98148526 1
Na Na2 1 0.00000000 1.96839249 2.98148526 1
Nb Nb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfNa2Nb | P4/mmm | 123 | tetragonal | 4/mmm | 5,702.653956 | false |
[CIF]
data_NaNbTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42430574
_cell_length_b 4.42430574
_cell_length_c 4.42430574
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaNbTc
_chemical_formula_sum 'Na1 Nb1 Tc1'
_cell_volume 61.23791493
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na Na0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 4.69268489 4.69268489 4.69268489 1
Tc Tc2 1 3.12845659 3.12845659 3.12845659 1
[/CIF]
| NaNbTc | F-43m | 216 | cubic | -43m | 5,824.621772 | false |
[CIF]
data_TaOs2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43954726
_cell_length_b 4.43954726
_cell_length_c 4.43954726
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaOs2Ru
_chemical_formula_sum 'Ta1 Os2 Ru1'
_cell_volume 61.87298256
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 4.70885096 4.70885096 4.70885096 1
Os Os1 1 1.56961698 1.56961698 1.56961699 1
Ru Ru2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 3.13923397 3.13923397 3.13923397 1
[/CIF]
| Os2RuTa | Fm-3m | 225 | cubic | m-3m | 17,779.495266 | false |
[CIF]
data_BaScAgMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09384452
_cell_length_b 5.09384452
_cell_length_c 5.09384452
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaScAgMo
_chemical_formula_sum 'Ba1 Sc1 Ag1 Mo1'
_cell_volume 93.45919925
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.80094600 1.80094600 1.80094600 1
Ba Ba1 1 5.40283800 5.40283800 5.40283800 1
Mo Mo2 1 3.60189200 3.60189200 3.60189200 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgBaMoSc | F-43m | 216 | cubic | -43m | 6,860.240518 | false |
[CIF]
data_VCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83082715
_cell_length_b 2.83082715
_cell_length_c 5.74738089
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCo2Si
_chemical_formula_sum 'V1 Co2 Si1'
_cell_volume 46.05711008
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 5.72693217 1
Co Co1 1 1.41541358 1.41541358 1.53182414 1
Si Si2 1 0.00000000 0.00000000 2.73619263 1
V V3 1 1.41541358 1.41541358 4.37350323 1
[/CIF]
| Co2SiV | P4mm | 99 | tetragonal | 4mm | 7,098.777268 | false |
[CIF]
data_NbTcGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27608860
_cell_length_b 4.08873491
_cell_length_c 4.82395313
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbTcGe2
_chemical_formula_sum 'Nb1 Tc1 Ge2'
_cell_volume 64.61713113
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 1.63804430 0.00000000 2.41197656 1
Nb Nb2 1 1.63804430 2.04436746 0.00000000 1
Tc Tc3 1 0.00000000 2.04436746 2.41197656 1
[/CIF]
| Ge2NbTc | Pmmm | 47 | orthorhombic | mmm | 8,662.647016 | false |
[CIF]
data_Ba2ScNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82516921
_cell_length_b 5.82516921
_cell_length_c 5.82516921
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2ScNb
_chemical_formula_sum 'Ba2 Sc1 Nb1'
_cell_volume 139.76892924
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.05950833 2.05950833 2.05950833 1
Ba Ba1 1 6.17852498 6.17852498 6.17852498 1
Nb Nb2 1 4.11901665 4.11901665 4.11901665 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ba2NbSc | Fm-3m | 225 | cubic | m-3m | 4,900.94202 | false |
[CIF]
data_BaMn2Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04749215
_cell_length_b 5.04749215
_cell_length_c 5.04749215
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaMn2Al
_chemical_formula_sum 'Ba1 Mn2 Al1'
_cell_volume 90.93099824
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Ba Ba1 1 3.56911593 3.56911593 3.56911593 1
Mn Mn2 1 5.35367389 5.35367389 5.35367389 1
Mn Mn3 1 1.78455796 1.78455796 1.78455796 1
[/CIF]
| AlBaMn2 | Fm-3m | 225 | cubic | m-3m | 5,007.150955 | false |
[CIF]
data_Tl2ReHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43535986
_cell_length_b 5.43535986
_cell_length_c 2.99006127
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2ReHg
_chemical_formula_sum 'Tl2 Re1 Hg1'
_cell_volume 88.33578916
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.71767993 2.71767993 0.00000000 1
Re Re1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 0.00000000 2.71767993 1.49503064 1
Tl Tl3 1 2.71767993 0.00000000 1.49503064 1
[/CIF]
| HgReTl2 | P4/mmm | 123 | tetragonal | 4/mmm | 14,955.030688 | false |
[CIF]
data_Li2AgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20417296
_cell_length_b 4.70769317
_cell_length_c 4.93449532
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2AgSb
_chemical_formula_sum 'Li2 Ag1 Sb1'
_cell_volume 74.43322587
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.60208648 0.00000000 0.94331913 1
Li Li1 1 0.00000000 2.35384658 0.29055103 1
Li Li2 1 0.00000000 0.00000000 3.41147257 1
Sb Sb3 1 1.60208648 2.35384658 2.75640025 1
[/CIF]
| AgLi2Sb | Pmm2 | 25 | orthorhombic | mm2 | 5,432.495995 | false |
[CIF]
data_KMnGaRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56050825
_cell_length_b 4.56050825
_cell_length_c 4.56050825
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMnGaRu
_chemical_formula_sum 'K1 Mn1 Ga1 Ru1'
_cell_volume 67.06944917
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.61238316 1.61238315 1.61238315 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 3.22476631 3.22476631 3.22476631 1
Ru Ru3 1 4.83714947 4.83714947 4.83714947 1
[/CIF]
| GaKMnRu | F-43m | 216 | cubic | -43m | 6,556.777769 | false |
[CIF]
data_LiMgNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33770455
_cell_length_b 5.33770455
_cell_length_c 5.33770455
_cell_angle_alpha 147.50155642
_cell_angle_beta 147.50155642
_cell_angle_gamma 46.62171570
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiMgNi
_chemical_formula_sum 'Li1 Mg1 Ni1'
_cell_volume 43.74082276
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 -0.00000000 0.00000000 9.58246363 1
Mg Mg1 1 -0.00000000 -0.00000000 6.70920432 1
Ni Ni2 1 0.00000000 -0.00000000 3.31631311 1
[/CIF]
| LiMgNi | I4mm | 107 | tetragonal | 4mm | 3,414.398972 | false |
[CIF]
data_CdGa2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97452077
_cell_length_b 2.97452077
_cell_length_c 8.24965553
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.15990492
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdGa2Pd
_chemical_formula_sum 'Cd1 Ga2 Pd1'
_cell_volume 72.93922833
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 2.06328794 0.00000000 2.27066340 1
Ga Ga1 1 0.00000000 0.00000000 8.07901537 1
Ga Ga2 1 2.06328794 0.00000000 5.95394395 1
Pd Pd3 1 0.00000000 0.00000000 4.32051611 1
[/CIF]
| CdGa2Pd | Cmm2 | 35 | orthorhombic | mm2 | 8,156.55675 | false |
[CIF]
data_Ta2TcTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27035104
_cell_length_b 5.27035104
_cell_length_c 5.27035104
_cell_angle_alpha 135.55458095
_cell_angle_beta 135.55458095
_cell_angle_gamma 64.66971689
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2TcTe
_chemical_formula_sum 'Ta2 Tc1 Te1'
_cell_volume 70.77233711
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta Ta0 1 0.00000000 1.99328751 2.22655619 1
Ta Ta1 1 1.99328751 0.00000000 2.22655619 1
Tc Tc2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 0.00000000 0.00000000 4.45311238 1
[/CIF]
| Ta2TcTe | I4/mmm | 139 | tetragonal | 4/mmm | 13,805.73938 | false |
[CIF]
data_Ca2MnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.46289761
_cell_length_b 3.46289761
_cell_length_c 8.53317164
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2MnSb
_chemical_formula_sum 'Ca2 Mn1 Sb1'
_cell_volume 102.32689160
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 8.02720004 1
Ca Ca1 1 1.73144880 1.73144880 2.70421995 1
Mn Mn2 1 0.00000000 0.00000000 4.76574556 1
Sb Sb3 1 1.73144880 1.73144880 5.83576355 1
[/CIF]
| Ca2MnSb | P4mm | 99 | tetragonal | 4mm | 4,168.35804 | false |
[CIF]
data_ScMnCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63837860
_cell_length_b 4.63837860
_cell_length_c 4.63837860
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScMnCd
_chemical_formula_sum 'Sc1 Mn1 Cd1'
_cell_volume 70.56406388
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.63991448 1.63991448 1.63991448 1
Mn Mn1 1 3.27982896 3.27982896 3.27982896 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdMnSc | F-43m | 216 | cubic | -43m | 4,996.037016 | false |
[CIF]
data_NaFeCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30183434
_cell_length_b 3.30183434
_cell_length_c 6.75081349
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaFeCl2
_chemical_formula_sum 'Na1 Fe1 Cl2'
_cell_volume 73.59811132
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 1.65091717 1.65091717 1.77715165 1
Cl Cl1 1 1.65091717 1.65091717 4.97366184 1
Fe Fe2 1 0.00000000 0.00000000 3.37540674 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl2FeNa | P4/mmm | 123 | tetragonal | 4/mmm | 3,378.488954 | false |
[CIF]
data_LaCrIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50899258
_cell_length_b 4.50899258
_cell_length_c 4.50899258
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaCrIr
_chemical_formula_sum 'La1 Cr1 Ir1'
_cell_volume 64.82216981
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 4.78250885 4.78250885 4.78250885 1
La La2 1 1.59416962 1.59416962 1.59416961 1
[/CIF]
| CrIrLa | F-43m | 216 | cubic | -43m | 9,814.286601 | false |
[CIF]
data_LiLaMnZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99022253
_cell_length_b 4.99022253
_cell_length_c 4.99022253
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiLaMnZn
_chemical_formula_sum 'Li1 La1 Mn1 Zn1'
_cell_volume 87.87083227
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 3.52862019 3.52862019 3.52862019 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 5.29293029 5.29293029 5.29293029 1
Zn Zn3 1 1.76431010 1.76431010 1.76431009 1
[/CIF]
| LaLiMnZn | F-43m | 216 | cubic | -43m | 5,029.843964 | false |
[CIF]
data_YSnRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89144453
_cell_length_b 4.89144453
_cell_length_c 4.89144453
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSnRh3
_chemical_formula_sum 'Y1 Sn1 Rh3'
_cell_volume 117.03382485
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y Y0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 0.00000000 2.44572226 0.00000000 1
Rh Rh2 1 0.00000000 0.00000000 2.44572226 1
Rh Rh3 1 2.44572226 0.00000000 0.00000000 1
Sn Sn4 1 2.44572226 2.44572226 2.44572226 1
[/CIF]
| Rh3SnY | Pm-3m | 221 | cubic | m-3m | 7,326.002031 | false |
[CIF]
data_TiCd2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64693316
_cell_length_b 5.64693316
_cell_length_c 5.64693316
_cell_angle_alpha 139.96493955
_cell_angle_beta 139.96493955
_cell_angle_gamma 57.90653674
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiCd2Si
_chemical_formula_sum 'Ti1 Cd2 Si1'
_cell_volume 73.84932404
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 -0.00000000 1.93298834 2.47057515 1
Cd Cd1 1 1.93298834 0.00000000 2.47057515 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
Ti Ti3 1 0.00000000 0.00000000 4.94115030 1
[/CIF]
| Cd2SiTi | I4/mmm | 139 | tetragonal | 4/mmm | 6,763.06539 | false |
[CIF]
data_HfAl2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10289636
_cell_length_b 3.10289636
_cell_length_c 7.29314537
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfAl2Au
_chemical_formula_sum 'Hf1 Al2 Au1'
_cell_volume 70.21815435
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.55144818 1.55144818 1.97847200 1
Al Al1 1 1.55144818 1.55144818 5.31467337 1
Au Au2 1 0.00000000 0.00000000 3.64657269 1
Hf Hf3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2AuHf | P4/mmm | 123 | tetragonal | 4/mmm | 10,155.039036 | false |
[CIF]
data_ZnGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35701644
_cell_length_b 4.35701644
_cell_length_c 4.35701644
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnGa2Ni
_chemical_formula_sum 'Zn1 Ga2 Ni1'
_cell_volume 58.48609130
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 3.08087587 3.08087587 3.08087587 1
Ga Ga1 1 4.62131380 4.62131380 4.62131380 1
Ni Ni2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 1.54043794 1.54043794 1.54043793 1
[/CIF]
| Ga2NiZn | F-43m | 216 | cubic | -43m | 7,481.851647 | false |
[CIF]
data_La2AsCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21562141
_cell_length_b 5.21562141
_cell_length_c 5.21562141
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2AsCl
_chemical_formula_sum 'La2 As1 Cl1'
_cell_volume 100.32361699
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 3.68800127 3.68800127 3.68800127 1
Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
La La2 1 1.84400064 1.84400064 1.84400064 1
La La3 1 5.53200191 5.53200191 5.53200191 1
[/CIF]
| AsClLa2 | Fm-3m | 225 | cubic | m-3m | 6,425.17957 | false |
[CIF]
data_Al2CrBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08206959
_cell_length_b 3.08206959
_cell_length_c 7.00669484
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2CrBr
_chemical_formula_sum 'Al2 Cr1 Br1'
_cell_volume 66.55766601
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.54103480 1.54103480 1.40568935 1
Al Al1 1 1.54103480 1.54103480 5.60100549 1
Br Br2 1 0.00000000 0.00000000 3.50334742 1
Cr Cr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2BrCr | P4/mmm | 123 | tetragonal | 4/mmm | 4,637.077669 | false |
[CIF]
data_ScMn2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94237170
_cell_length_b 4.94237170
_cell_length_c 5.03150264
_cell_angle_alpha 101.39857601
_cell_angle_beta 101.39857601
_cell_angle_gamma 36.78218074
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScMn2Sn
_chemical_formula_sum 'Sc1 Mn2 Sn1'
_cell_volume 71.97842676
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 1.52290412 -0.00000000 3.68871361 1
Mn Mn1 1 6.80906394 -0.00000000 1.23245468 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 4.16598403 0.00000000 2.46058414 1
[/CIF]
| Mn2ScSn | C2/m | 12 | monoclinic | 2/m | 6,310.601678 | false |
[CIF]
data_Li2MgBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44712921
_cell_length_b 3.44712921
_cell_length_c 8.76975184
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.38341221
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2MgBr
_chemical_formula_sum 'Li2 Mg1 Br1'
_cell_volume 96.35688931
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 1.91803750 0.00000000 1.96694142 1
Li Li1 1 0.00000000 0.00000000 0.37243856 1
Li Li2 1 1.91803750 0.00000000 6.51782593 1
Mg Mg3 1 0.00000000 0.00000000 4.29742185 1
[/CIF]
| BrLi2Mg | Cmm2 | 35 | orthorhombic | mm2 | 2,035.087686 | false |
[CIF]
data_FeOsPdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32669873
_cell_length_b 4.32669873
_cell_length_c 4.32669873
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeOsPdRu
_chemical_formula_sum 'Fe1 Os1 Pd1 Ru1'
_cell_volume 57.27366430
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 3.05943801 3.05943801 3.05943801 1
Pd Pd2 1 1.52971901 1.52971901 1.52971901 1
Ru Ru3 1 4.58915701 4.58915701 4.58915701 1
[/CIF]
| FeOsPdRu | F-43m | 216 | cubic | -43m | 13,150.239485 | false |
[CIF]
data_BaAg2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62095083
_cell_length_b 3.62095083
_cell_length_c 7.28387558
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaAg2Pt
_chemical_formula_sum 'Ba1 Ag2 Pt1'
_cell_volume 95.50096800
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 7.22630172 1
Ag Ag1 1 1.81047541 1.81047541 1.32617093 1
Ba Ba2 1 0.00000000 0.00000000 3.84272656 1
Pt Pt3 1 1.81047541 1.81047541 5.81448982 1
[/CIF]
| Ag2BaPt | P4mm | 99 | tetragonal | 4mm | 9,531.004669 | false |
[CIF]
data_Nb2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29761316
_cell_length_b 5.29761316
_cell_length_c 7.39758805
_cell_angle_alpha 107.97538974
_cell_angle_beta 107.97538974
_cell_angle_gamma 30.28585178
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2Si
_chemical_formula_sum 'Nb4 Si2'
_cell_volume 99.20609398
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 1.33186001 -0.00000000 0.87283524 1
Nb Nb1 1 6.53038981 -0.00000000 6.13649449 1
Nb Nb2 1 0.14344374 0.00000000 3.56614643 1
Nb Nb3 1 7.71880607 -0.00000000 3.44318330 1
Si Si4 1 3.84467034 -0.00000000 5.54017373 1
Si Si5 1 4.01757947 -0.00000000 1.46915600 1
[/CIF]
| Nb4Si2 | C2/m | 12 | monoclinic | 2/m | 7,160.576589 | false |
[CIF]
data_Li2MnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08973037
_cell_length_b 9.08973037
_cell_length_c 9.08973037
_cell_angle_alpha 17.74912195
_cell_angle_beta 17.74912195
_cell_angle_gamma 17.74912195
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2MnRh
_chemical_formula_sum 'Li2 Mn1 Rh1'
_cell_volume 60.92756775
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 -0.00000000 0.18714245 1
Li Li1 1 -0.00000000 -0.00000000 6.60962215 1
Mn Mn2 1 -0.00000000 0.00000000 13.28112343 1
Rh Rh3 1 -0.00000000 -0.00000000 20.17166654 1
[/CIF]
| Li2MnRh | R3m | 160 | trigonal | 3m | 4,680.261942 | false |
[CIF]
data_Ca2SiB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89911454
_cell_length_b 4.89911454
_cell_length_c 3.43035295
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.71347547
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2SiB
_chemical_formula_sum 'Ca2 Si1 B1'
_cell_volume 82.32662654
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 -0.00000000 -0.00000000 0.00000000 1
Ca Ca1 1 1.72128058 1.74284939 1.71517647 1
Ca Ca2 1 1.72128058 -1.74284939 1.71517647 1
Si Si3 1 3.44256115 0.00000000 0.00000000 1
[/CIF]
| BCa2Si | Cmmm | 65 | orthorhombic | mmm | 2,401.305996 | false |
[CIF]
data_CdTc2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94195043
_cell_length_b 4.56544582
_cell_length_c 4.68411565
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdTc2Os
_chemical_formula_sum 'Cd1 Tc2 Os1'
_cell_volume 62.91383417
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.47097521 0.00000000 2.34205782 1
Os Os1 1 0.00000000 2.28272291 2.34205782 1
Tc Tc2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 1.47097521 2.28272291 0.00000000 1
[/CIF]
| CdOsTc2 | Pmmm | 47 | orthorhombic | mmm | 13,208.898055 | false |
[CIF]
data_EuGaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44841466
_cell_length_b 4.44841466
_cell_length_c 4.44841466
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuGaO3
_chemical_formula_sum 'Eu1 Ga1 O3'
_cell_volume 88.02697746
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 2.22420733 2.22420733 2.22420733 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
O O2 1 2.22420733 2.22420733 0.00000000 1
O O3 1 2.22420733 0.00000000 2.22420733 1
O O4 1 0.00000000 2.22420733 2.22420733 1
[/CIF]
| EuGaO3 | Pm-3m | 221 | cubic | m-3m | 5,087.335987 | false |
[CIF]
data_NaMnNb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90642423
_cell_length_b 2.90642423
_cell_length_c 8.79632132
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMnNb2
_chemical_formula_sum 'Na1 Mn1 Nb2'
_cell_volume 74.30518071
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 0.00000000 0.00000000 4.39816066 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Nb Nb2 1 1.45321211 1.45321211 2.82830002 1
Nb Nb3 1 1.45321211 1.45321211 5.96802130 1
[/CIF]
| MnNaNb2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,893.958976 | false |
[CIF]
data_HfCo2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90078540
_cell_length_b 2.90078540
_cell_length_c 7.02929816
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 93.58020875
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCo2Pt
_chemical_formula_sum 'Hf1 Co2 Pt1'
_cell_volume 59.03298586
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.98608943 0.00000000 5.19961930 1
Co Co1 1 1.98608943 0.00000000 1.82967886 1
Hf Hf2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 0.00000000 0.00000000 3.51464908 1
[/CIF]
| Co2HfPt | Cmmm | 65 | orthorhombic | mmm | 13,823.728457 | false |
[CIF]
data_Ba2ZnB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81359766
_cell_length_b 3.81359766
_cell_length_c 8.21396810
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2ZnB
_chemical_formula_sum 'Ba2 Zn1 B1'
_cell_volume 119.46006776
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Ba Ba1 1 1.90679883 1.90679883 1.75903014 1
Ba Ba2 1 1.90679883 1.90679883 6.45493796 1
Zn Zn3 1 0.00000000 0.00000000 4.10698405 1
[/CIF]
| BBa2Zn | P4/mmm | 123 | tetragonal | 4/mmm | 4,876.875091 | false |
[CIF]
data_ReOsPdPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56380033
_cell_length_b 4.56380033
_cell_length_c 4.56380033
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReOsPdPb
_chemical_formula_sum 'Re1 Os1 Pd1 Pb1'
_cell_volume 67.21479957
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 4.84064124 4.84064124 4.84064124 1
Pb Pb1 1 3.22709416 3.22709416 3.22709416 1
Pd Pd2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 1.61354708 1.61354708 1.61354708 1
[/CIF]
| OsPbPdRe | F-43m | 216 | cubic | -43m | 17,047.831937 | false |
[CIF]
data_CdGa2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21169917
_cell_length_b 5.21169917
_cell_length_c 5.21169917
_cell_angle_alpha 131.87337297
_cell_angle_beta 131.87337297
_cell_angle_gamma 70.42909418
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdGa2Ag
_chemical_formula_sum 'Cd1 Ga2 Ag1'
_cell_volume 76.91277131
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 4.25795050 1
Cd Cd1 1 0.00000000 2.12504891 2.12897525 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Ga Ga3 1 2.12504891 -0.00000000 2.12897525 1
[/CIF]
| AgCdGa2 | I-4m2 | 119 | tetragonal | -42m | 7,766.431214 | false |
[CIF]
data_Tc2NiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06718428
_cell_length_b 3.06718428
_cell_length_c 6.97608573
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.40472948
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2NiPb
_chemical_formula_sum 'Tc2 Ni1 Pb1'
_cell_volume 65.60863601
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 0.00000000 0.00000000 3.48804287 1
Tc Tc2 1 2.14207778 0.00000000 5.67117862 1
Tc Tc3 1 2.14207778 0.00000000 1.30490711 1
[/CIF]
| NiPbTc2 | Cmmm | 65 | orthorhombic | mmm | 11,736.28417 | false |
[CIF]
data_Ti2GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10928182
_cell_length_b 4.10928182
_cell_length_c 3.78483039
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2GaAs
_chemical_formula_sum 'Ti2 Ga1 As1'
_cell_volume 63.91139187
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 2.05464091 2.05464091 0.00000000 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 0.00000000 2.05464091 1.89241520 1
Ti Ti3 1 2.05464091 0.00000000 1.89241520 1
[/CIF]
| AsGaTi2 | P4/mmm | 123 | tetragonal | 4/mmm | 6,245.491522 | false |